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We study the controlled manipulation of the Jahn-Teller metal state of fulleride compounds using nonequilibrium dynamical mean field theory. This anomalous metallic state is a spontaneous orbital-selective Mott phase, which is characterized…

Strongly Correlated Electrons · Physics 2017-05-10 Philipp Werner , Hugo Strand , Shintaro Hoshino , Martin Eckstein

The alkali-doped fullerides A$_3$C$_{60}$ are half-filled three-orbital Hubbard systems which exhibit an unconventional superconducting phase next to a Mott insulator. While the pairing is understood to arise from an effectively negative…

Strongly Correlated Electrons · Physics 2017-05-03 Shintaro Hoshino , Philipp Werner

Dynamical Jahn-Teller effect has escaped so far direct observation in metallic systems. It is particularly believed to be quenched also in correlated conductors with orbitally degenerate sites such as cubic fullerides. Here the Gutzwiller…

Strongly Correlated Electrons · Physics 2015-04-06 Naoya Iwahara , Liviu F. Chibotaru

We argue that the unusual properties of a wide class of materials based on Jahn-Teller 3d and 4d ions with different crystal and electronic structures, from quasi-two-dimensional unconventional superconductors (cuprates, nickelates,…

Superconductivity · Physics 2024-01-23 A. S. Moskvin , Yu. D. Panov

The Jahn-Teller distortion and the resulting orbital order usually cause some fascinating correlated electronic behaviors, and generally lead to antiferromagnetism in perovskite bulks. Here we demonstrate that the Jahn-Teller distortion…

Materials Science · Physics 2023-05-03 Ke Ji , Zongshuo Wu , Xiaofan Shen , Jianli Wang , Junting Zhang

We explore the ground-state properties of the two-band Hubbard model with degenerate electronic bands, parametrized by nearest-neighbor hopping $t$, intra- and inter-orbital on-site Coulomb repulsions $U$ and $U^\prime$, and Hund coupling…

Strongly Correlated Electrons · Physics 2018-08-30 Caterina De Franco , Luca F. Tocchio , Federico Becca

A wide class of materials with different crystal and electronic structures from quasi-two-dimensional unconventional superconductors (cuprates, nickelates, ferropnictides/chalcogenides, ruthenate SrRuO$_4$), 3D systems as manganites…

Strongly Correlated Electrons · Physics 2023-06-13 A. S. Moskvin

We posit that there exist deep and fundamental relationships between the above seemingly very different materials. The carrier concentration-dependences of the electronic behavior in the conducting organic charge-transfer solids and layered…

Strongly Correlated Electrons · Physics 2015-06-03 Sumit Mazumdar , R. Torsten Clay

By constructing an effective model based on recently calculated \emph{ab }initio bare interaction parameters, we study the phase diagram of alkali doped fullerides as a function of temperature and internal pressure. We use a slave-rotor…

Strongly Correlated Electrons · Physics 2019-10-08 Theja N. De Silva

The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…

Strongly Correlated Electrons · Physics 2021-04-22 D. I. Khomskii , S. V. Streltsov

We study a three-orbital Hubbard model with negative Hund coupling in infinite dimensions, combining dynamical mean-field theory with continuous time quantum Monte Carlo simulations. This model, which is relevant for the description of…

Superconductivity · Physics 2018-12-13 Kosuke Ishigaki , Joji Nasu , Akihisa Koga , Shintaro Hoshino , Philipp Werner

In the present review different effects related to the orbital degrees of freedom are discussed. Leaving aside such aspects as the superexchange mechanism of the cooperative Jahn-Teller distortions and different properties of…

Strongly Correlated Electrons · Physics 2018-03-12 S. V. Streltsov , D. I. Khomskii

We study the ground state orbital ordering of $LaMnO_3$, at weak electron-phonon coupling, when the spin state is A-type antiferromagnet. We determine the orbital ordering by extending to our Jahn-Teller system a recently developed Peierls…

Strongly Correlated Electrons · Physics 2015-05-13 S. Yarlagadda , P. B. Littlewood , M. Mitra , R. K. Monu

Alkali-doped fullerides A$_n$C$_{60}$ show a remarkably wide range of electronic phases in function of A= Li, Na, K, Rb, Cs and the degree of doping, $n=1-5$. While the presence of strong electron correlations is well established, recent…

Strongly Correlated Electrons · Physics 2016-10-10 Naoya Iwahara , Liviu F. Chibotaru

Although multiferroics have undergone extensive examination for several decades, the occurrence of ferroelectricity induced by orbital order is only scarcely documented. In this study, we propose the existence of spontaneous ferroelectric…

Materials Science · Physics 2025-01-07 Xiao-Feng Luo , Xu He , Rui Wang , Hongjun Xiang , Jin-Zhu Zhao

Perovskite oxides are already widely used in industry and have huge potential for novel device applications thanks to the rich physical behaviour displayed in these materials. The key to the functional electronic properties exhibited by…

Materials Science · Physics 2017-05-08 Julien Varignon , Nicholas C. Bristowe , Eric Bousquet , Philippe Ghosez

We present a theoretical study of a possibility of superconductivity in a three dimensional molecular conductor in which the interaction between electrons in doubly degenerate molecular orbitals and an {\em intra}molecular vibration mode is…

Superconductivity · Physics 2016-08-31 R. Ramakumar , Sudhakar Yarlagadda

Rare-earth titanates RTiO$_3$ are Mott insulators displaying a rich physical behavior, featuring most notably orbital and spin orders in their ground state. The origin of their ferromagnetic to antiferromagnetic transition as a function of…

Materials Science · Physics 2018-01-17 Julien Varignon , Mathieu N. Grisolia , Daniele Preziosi , Philippe Ghosez , Manuel Bibes

Resonant soft x-ray diffraction has been used to probe the temperature dependent orbital and magnetic structure of $\mathrm{LaSr_{2}Mn_{2}O_7}$. Previous crystallographic studies have shown that this material has almost no MnO$_{6}$ oxygen…

Strongly Correlated Electrons · Physics 2007-05-23 S. B. Wilkins , N. Stojic , T. A. W. Beale , N. Binggeli , P. Bencok , S. Stanescu , J. F. Mitchell , P. Abbamonte , P. D. Hatton , M. Altarelli

With the use of the band structure calculations we demonstrate that previously reported [Nat. Materials {\bf 3}, 48 (2004)] experimental crystal and magnetic structures for NaMn$_7$O$_{12}$ are inconsistent with each other. The optimization…

Strongly Correlated Electrons · Physics 2014-06-06 S. V. Streltsov , D. I. Khomskii
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